General Information of the Compound
| Compound ID |
CP0486381
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| Compound Name |
US10167273, Example 44
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| Structure |
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| Formula |
C18H23F2N3O4S
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| Molecular Weight |
415.462
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| Canonical SMILES |
COc1c(F)cc(OC2CCN(CC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1F
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| InChI |
InChI=1S/C18H23F2N3O4S/c1-11-18(12(2)22(3)21-11)28(24,25)23-7-5-13(6-8-23)27-14-9-15(19)17(26-4)16(20)10-14/h9-10,13H,5-8H2,1-4H3
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| InChIKey |
IOZNLIPWTQWGLJ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound